N-tert-butyl-N-[3-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-N-[3-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanamide Openeye Name: N-tert-butyl-N-[3-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]-2-oxo-5,7-diphenyl-azepan-1-yl]acetamide CAS Name: N-tert-butyl-N-[3-[[[3-(methylcarbamoylamino)anilino]-oxomethyl]amino]-2-oxo-5,7-diphenyl-1-azepanyl]acetamide IUPAC Name: N-tert-butyl-N-[3-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]-2-oxo-5,7-diphenylazepan-1-yl]acetamide Traditional Name: N-tert-butyl-N-[2-keto-3-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]-5,7-diphenyl-azepan-1-yl]acetamide Formula: C33H40N6O4 MolecularWeight: 584.7085

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C(C)(C)C)N1C(CC(CC(C1=O)NC(=O)NC2=CC(=CC=C2)NC(=O)NC)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N(C(C)(C)C)N1C(CC(CC(C1=O)NC(=O)NC2=CC(=CC=C2)NC(=O)NC)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C33H40N6O4/c1-22(40)39(33(2,3)4)38-29(24-15-10-7-11-16-24)20-25(23-13-8-6-9-14-23)19-28(30(38)41)37-32(43)36-27-18-12-17-26(21-27)35-31(42)34-5/h6-18,21,25,28-29H,19-20H2,1-5H3,(H2,34,35,42)(H2,36,37,43)